3-[[2-acetamido-3-(4-nitrooxybutanoyloxy)propanoyl]sulfamoyl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-acetamido-3-(4-nitrooxybutanoyloxy)propanoyl]sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-acetamido-3-(4-nitrooxybutanoyloxy)propanoyl]sulfamoyl]-4-chloro-benzoic acid CAS Name: 3-[[2-acetamido-3-(4-nitrooxy-1-oxobutoxy)-1-oxopropyl]sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[[2-acetamido-3-(4-nitrooxybutanoyloxy)propanoyl]sulfamoyl]-4-chlorobenzoic acid Traditional Name: 3-[[2-acetamido-3-(4-nitrooxybutanoyloxy)propanoyl]sulfamoyl]-4-chloro-benzoic acid Formula: C16H18ClN3O11S MolecularWeight: 495.84562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)CCCO[N+](=O)[O-])C(=O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(=O)NC(COC(=O)CCCO[N+](=O)[O-])C(=O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C16H18ClN3O11S/c1-9(21)18-12(8-30-14(22)3-2-6-31-20(26)27)15(23)19-32(28,29)13-7-10(16(24)25)4-5-11(13)17/h4-5,7,12H,2-3,6,8H2,1H3,(H,18,21)(H,19,23)(H,24,25)